methanol;zirconium;hydrate

C3H14O4Zr — CID 164789293

IUPACmethanol;zirconium;hydrate
SMILESCO.CO.CO.O.[Zr]
InChIInChI=1S/3CH4O.H2O.Zr/c3*1-2;;/h3*2H,1H3;1H2;
InChIKeyTVGSCVHHNIBUTI-UHFFFAOYSA-N
MW205.36 g/mol
LogP-2.00
Rot. Bonds

About methanol;zirconium;hydrate

methanol;zirconium;hydrate (PubChem CID 164789293) has the molecular formula C3H14O4Zr and a molecular weight of 205.36 g/mol. Its IUPAC name is methanol;zirconium;hydrate.

Molecular Properties

Compound Namemethanol;zirconium;hydrate
PubChem CID164789293
Molecular FormulaC3H14O4Zr
Molecular Weight205.36 g/mol
Exact Mass203.99
IUPAC Namemethanol;zirconium;hydrate
SMILESCO.CO.CO.O.[Zr]
InChIInChI=1S/3CH4O.H2O.Zr/c3*1-2;;/h3*2H,1H3;1H2;
InChIKeyTVGSCVHHNIBUTI-UHFFFAOYSA-N
XLogP-2.00
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.36
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;zirconium;hydrate?
The IUPAC name of methanol;zirconium;hydrate (CID 164789293) is methanol;zirconium;hydrate.
What is the SMILES notation for methanol;zirconium;hydrate?
The canonical SMILES for methanol;zirconium;hydrate is CO.CO.CO.O.[Zr].
What is the InChIKey of methanol;zirconium;hydrate?
The InChIKey is TVGSCVHHNIBUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4O.H2O.Zr/c3*1-2;;/h3*2H,1H3;1H2;.
What are the key properties of methanol;zirconium;hydrate?
methanol;zirconium;hydrate has a molecular weight of 205.36 g/mol, XLogP of -2.00, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;zirconium;hydrate is sourced from PubChem (CID 164789293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).